Basic information
- CAS
60515-97-1- Standard SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(N=Cc3ccc(C=Nc4ccc(S(=O)(=O)c5ccc([N+](=O)[O-])cc5)cc4)cc3)cc2)cc1- InChIKey
IKYALZBEANAFEZ-UHFFFAOYSA-N- Molecular formula
- C32H22N4O8S2
- Average molar mass
- 654.7 g/mol
- Monoisotopic mass
- 654.08790602
Names & identifiers
- Preferred name
- N-[4-(4-nitrophenyl)sulfonylphenyl]-1-[4-[[4-(4-nitrophenyl)sulfonylphenyl]iminomethyl]phenyl]methanimine
- IUPAC
- N-[4-(4-nitrophenyl)sulfonylphenyl]-1-[4-[[4-(4-nitrophenyl)sulfonylphenyl]iminomethyl]phenyl]methanimine
Names & synonyms
60515-97-1NSC291634N-[4-(4-nitrophenyl)sulfonylphenyl]-1-[4-[[4-(4-nitrophenyl)sulfonylphenyl]iminomethyl]phenyl]methanimineDTXSID50315055NSC-291634(E,E)-(1,4-Phenylene)bis{N-[4-(4-nitrobenzene-1-sulfonyl)phenyl]methanimine}
Database identifiers
- CAS
60515-97-1- PubChem CID
- 324847
- DTXSID
DTXSID50315055
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 201 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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